SCHEMBL7375295

SCHEMBL7375295

CCOC(=O)C(CCCc1ccc(NC(=O)OC(C)(C)C)nc1)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.42
GRIN2B Q13224 1/20 0.42
HDAC1 Q13547 1/20 0.42
TDP1 Q9NUW8 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MKNK2 Q9HBH9 1/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SCN9A Q15858 1/20 0.36
CYP17A1 P05093 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7384054 0.96 GRIN2B (0.42) NAMPTGRIN2BHDAC1TDP1MEN1
SCHEMBL7375395 0.93 NAMPT (0.43) NAMPTGRIN2BHDAC1TDP1MEN1
SCHEMBL7384394 0.89 NAMPT (0.42) NAMPTGRIN2BHDAC1TDP1MKNK2
SCHEMBL6058751 0.86 NAMPT (0.44) NAMPTGRIN2BHDAC1MKNK2KDM4E
SCHEMBL6059170 0.84 NAMPT (0.43) NAMPTGRIN2BHDAC1MKNK2KDM4E
SCHEMBL7377629 0.83 TDP1 (0.41) GRIN2BTDP1MEN1KMT2AMAPK1
SCHEMBL7379372 0.82 NAMPT (0.41) NAMPTGRIN2BHDAC1MKNK2MAPK1
SCHEMBL6059029 0.80 NAMPT (0.40) NAMPTGRIN2BHDAC1MKNK2KDM4E
SCHEMBL7382508 0.80 TDP1 (0.39) GRIN2BTDP1MEN1KMT2AMAPK1
SCHEMBL2871142 0.79 NAMPT (0.46) NAMPTGRIN2BHDAC1MKNK2L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1180098-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 EP disclosed
WO-2000066557-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 WO disclosed